SCHEMBL342713

SCHEMBL342713

O=Cc1[c]ccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.41
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
CYP2A6 P11509 3/20 0.39
TSHR P16473 2/20 0.39
HPRT1 P00492 1/20 0.36
CYP1A2 P05177 3/20 0.35
MAPT P10636 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PAX8 Q06710 1/20 0.34
POLB P06746 2/20 0.34
PTPN1 P18031 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HIF1A Q16665 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27676884 0.85 HPRT1 (0.50) ERN1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL5749446 0.82 ALDH1A1 (0.37) ERN1ALDH1A1HSD17B10CYP2A6CYP1A2
SCHEMBL8723699 0.79 ALDH1A1 (0.39) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL2155019 0.79 CYP2A6 (0.39) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL22499801 0.76 CYP2A6 (0.36) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL22499803 0.76 CYP2A6 (0.36) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL16288312 0.75 ALDH1A1 (0.34) ERN1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL27529422 0.73 CYP2A6 (0.40) ALDH1A1HSD17B10TDP1CYP2A6CYP1A2
SCHEMBL28302283 0.73 ESR1 (0.33) ERN1ALDH1A1HSD17B10TDP1TSHR
SCHEMBL20507044 0.71 ALDH1A1 (0.43) ALDH1A1HSD17B10TDP1CYP2A6TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113277934-A Euphorbia lathyris diterpene derivatives with MDR reversion activity and application thereof 中国科学院成都生物研究所 2021-08-20 CN claimed
CN-101646704-A Method for the production of polyurethane compositions with a low isocyanate monomer content SIKA TECHNOLOGY AG CH 2010-02-10 CN claimed
US-4505716-A WETTING AGENTS, DISPERSANTS, CLAY STABILIZER, AGITATION, GELATION ITT CORPORATION (US) 1985-03-19 US claimed
US-4432771-A SLURRY WITH DISPERSANT AND CLAY STABILIZERS INTERNATIONAL TELEPHONE AND TELEGRAPH CORPORATION (US) 1984-02-21 US claimed
WO-2024113146-A1 MOISTURE AND HEAT-CURABLE SEALING COMPOSITION SIKA TECHNOLOGY AG (CH) 2024-06-06 WO disclosed
CN-117358275-A Carbon nitride molecular junction catalyst and preparation method and application thereof 深圳大学 2024-01-09 CN disclosed
CN-113277934-B Euphorbia lathyris diterpene derivatives with MDR reversion activity and application thereof 中国科学院成都生物研究所 2022-07-15 CN disclosed
CN-110003413-A The preparation method and dihydroxy naphthlene condensation product of dihydroxy naphthlene condensation product 信越化学工业株式会社 2019-07-12 CN disclosed
CN-109960111-A Organic film forms the forming method and pattern forming method with composition, semiconductor device producing substrate, organic film 信越化学工业株式会社 2019-07-02 CN disclosed
US-10189947-B2 Composition of anti-reflective hardmask CHOI SANG JUN (KR) 2019-01-29 US disclosed
CN-107286144-A A kind of new imidazolium compounds and its use for electronic equipment material, light-emitting component and electronic installation 昱镭光电科技股份有限公司 2017-10-24 CN disclosed
US-20170198096-A1 Composition of Anti-Reflective Hardmask CHOI SANG JUN (KR) 2017-07-13 US disclosed
EP-0534257-A1 Salicylic acid derivatives, the process for preparing the same and the heat-sensitive recording materials comprising thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-03-31 EP disclosed
US-4505716-A WETTING AGENTS, DISPERSANTS, CLAY STABILIZER, AGITATION, GELATION ITT CORPORATION (US) 1985-03-19 US disclosed
US-4374261-A CENTRAL NERVOUS SYSTEM STIMULANTS HOFFMANN-LA ROCHE INC. (US) 1983-02-15 US disclosed
US-4314063-A INTERMEDIATES FOR CNS STIMULANTS HOFFMANN-LA ROCHE INC. (US) 1982-02-02 US disclosed
US-4278798-A STIMULANTS HOFFMANN-LA ROCHE INC. (US) 1981-07-14 US disclosed
US-4260816-A HYPOGLYCEMIC, HYPOLIPIDEMIC AGENTS, TREATMENT OF DIABETES AMERICAN CYANAMID COMPANY (US) 1981-04-07 US disclosed
US-4104468-A 1,3,4-Oxadiazolyl-(2)-vinyl stilbene optical brighteners SANDOZ LTD. (CH) 1978-08-01 US disclosed
US-3953524-A Catalytic hydrogenation of alpha,beta-unsaturated aldehydes to alpha,beta-unsaturated alcohols HOFFMANN-LA ROCHE INC. (US) 1976-04-27 US disclosed